SCHEMBL3045910

SCHEMBL3045910

CC1(C)CCc2cc(OS(=O)(=O)C(F)(F)F)ccc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
DRD2 P14416 5/20 0.40
DRD3 P35462 5/20 0.40
HTR1D P28221 2/20 0.40
PRNP P04156 1/20 0.38
CHRM1 P11229 5/20 0.38
DRD4 P21917 4/20 0.38
HSD11B1 P28845 1/20 0.38
MAOB P27338 1/20 0.36
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CYP27A1 Q02318 1/20 0.34
CYP24A1 Q07973 1/20 0.34
BACE1 P56817 1/20 0.34
GRM5 P41594 1/20 0.34
HTR1A P08908 1/20 0.34
HTR1B P28222 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5287417 0.83 DGAT1 (0.45) SMN1; SMN2DRD2DRD3HTR1D
SCHEMBL1807301 0.80 DRD2 (0.39) DRD2DRD3HTR1DPRNPCHRM1
SCHEMBL630002 0.80 SMN1; SMN2 (0.66) SMN1; SMN2PRNPCA1CA2
SCHEMBL18248703 0.78 SMN1; SMN2 (0.42) SMN1; SMN2DRD2DRD3HTR1DPRNP
SCHEMBL14061880 0.78 DGAT1 (0.56) SMN1; SMN2DRD2DRD3HTR1D
SCHEMBL14061941 0.78 DGAT1 (0.41) SMN1; SMN2DRD2DRD3HTR1D
SCHEMBL14137116 0.77 BACE1 (0.38) SMN1; SMN2DRD2DRD3HTR1DPRNP
SCHEMBL4157926 0.77 MAOB (0.57) DRD2DRD3HTR1DMAOBGRM5
SCHEMBL9588225 0.76 TDP2 (0.48) SMN1; SMN2HTR2CCYP24A1
SCHEMBL14137097 0.75 DGAT1 (0.49) SMN1; SMN2DRD2DRD3HTR1DBACE1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222363-A1 Bicyclic Derivatives as P38 Inhibitors PALAU PHARMA, S.A. (ES) 2010-09-02 US disclosed
US-20090286775-A1 Bicyclic Derivatives as P38 Kinase Inhibitors PALAU PHARMA, S.A. (ES) 2009-11-19 US disclosed
WO-2007000337-A1 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2007-01-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100222363-A1 Bicyclic Derivatives as P38 Inhibitors MAPK1, MAPKAPK2, MAPK7 SMN1; SMN2 3351/4885DRD2 4522/4885DRD3 4055/4885
US-20090286775-A1 Bicyclic Derivatives as P38 Kinase Inhibitors MAPK1, MAPKAPK2, MAPKAPK3 SMN1; SMN2 3588/4885DRD2 4472/4885DRD3 4019/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.